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CAS No.: | 15188-09-7 |
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Name: | VINYLTRIS(TERT-BUTYLPEROXY)SILANE |
Molecular Structure: | |
Formula: | C14H30O6Si |
Molecular Weight: | 322.474 |
Synonyms: | Vinyltris(tert-butylperoxy)silane;Vinyltris(tert-butyldioxy)silane;Peroxide,(vinylsilylidyne)tris[tert-butyl (6CI,7CI);Silane, tris(tert-butyldioxy)vinyl-(8CI);Silane, tris[(1,1-dimethylethyl)dioxy]ethenyl- (9CI);3,4,6,7-Tetraoxa-5-silanonane, 5-(tert-butyldioxy)-2,2,8,8-tetramethyl-5-vinyl-(8CI);Tris(tert-butylperoxy)vinylsilane;Vinylsilyl tri-tert-butyl peroxide;Vinyltriperoxybutylsilane;X 12-530;YGO 1401; |
EINECS: | 239-238-7 |
Density: | 0.98 g/cm3 |
Boiling Point: | 272.6 °C at 760 mmHg |
Flash Point: | 103.6 °C |
Appearance: | Colorless transparent liquid |
PSA: | 55.38000 |
LogP: | 3.89060 |
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The Silane, tris((1,1-dimethylethyl)dioxy)ethenyl-, with the CAS registry number 15188-09-7, is also known as Vinylsilyl tri-tert-butyl peroxide. Its EINECS number is 239-238-7. This chemical's molecular formula is C14H30O6Si and molecular weight is 322.47. What's more, its systematic name is tris(tert-butylperoxy)(ethenyl)silane. Its classification code is Skin / Eye Irritant.
Physical properties of Silane, tris((1,1-dimethylethyl)dioxy)ethenyl- are: (1)ACD/LogP: 8.16; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.16; (4)ACD/LogD (pH 7.4): 8.16; (5)ACD/BCF (pH 5.5): 938893.19; (6)ACD/BCF (pH 7.4): 938893.19; (7)ACD/KOC (pH 5.5): 655793.69; (8)ACD/KOC (pH 7.4): 655793.69; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 55.38 Å2; (13)Index of Refraction: 1.434; (14)Molar Refractivity: 85.71 cm3; (15)Molar Volume: 328.7 cm3; (16)Polarizability: 33.98×10-24cm3; (17)Surface Tension: 25.7 dyne/cm; (18)Density: 0.98 g/cm3; (19)Flash Point: 103.6 °C; (20)Enthalpy of Vaporization: 49.03 kJ/mol; (21)Boiling Point: 272.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0101 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(O[Si](OOC(C)(C)C)(OOC(C)(C)C)\C=C)C(C)(C)C
(2)Std. InChI: InChI=1S/C14H30O6Si/c1-11-21(18-15-12(2,3)4,19-16-13(5,6)7)20-17-14(8,9)10/h11H,1H2,2-10H3
(3)Std. InChIKey: WCAGGTLUGWSHOV-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rabbit | LD50 | skin | 71uL/kg (0.071mL/kg) | LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA LIVER: OTHER CHANGES SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" | National Technical Information Service. Vol. OTS0543713. |
rat | LD50 | intraperitoneal | 1070uL/kg (1.07mL/kg) | BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | National Technical Information Service. Vol. OTS0543713. |
rat | LD50 | oral | 1870uL/kg (1.87mL/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA | National Technical Information Service. Vol. OTS0543713. |